N-propyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-propyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-propyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: N-propyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-propyl-2-[4-[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C18H25F3N3O2S+ MolecularWeight: 404.47021

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O2S/c1-2-6-22-16(25)12-23-7-9-24(10-8-23)17(26)13-27-15-5-3-4-14(11-15)18(19,20)21/h3-5,11H,2,6-10,12-13H2,1H3,(H,22,25)/p+1